Acetonitrile → 1-(2-Chloro-4-fluorobenzoyl)-3-[2-methyl-4-(3-methyl-5-oxo-2,5-dihydropyrazol-1-yl)phenyl]urea

Reaction equation

[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[cH:9][cH:10][c:11]([F:13])[cH:12]1.[NH2:14][c:15]1[c:16]([CH3:28])[cH:17][c:18](-[n:21]2[nH:22][c:23]([CH3:27])[cH:24][c:25]2=[O:26])[cH:19][cH:20]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:14][c:15]2[c:16]([CH3:28])[cH:17][c:18](-[n:21]3[nH:22][c:23]([CH3:27])[cH:24][c:25]3=[O:26])[cH:19][cH:20]2)[cH:9][cH:10][c:11]([F:13])[cH:12]1

Participants

Reactant 3

HCID 6342Acetonitrile

HCID 11521269Benzoyl isocyanate, 2-chloro-4-fluoro-

HCID 218838762-(4-Amino-3-methylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

Product 1

HCID 121487531-(2-Chloro-4-fluorobenzoyl)-3-[2-methyl-4-(3-methyl-5-oxo-2,5-dihydropyrazol-1-yl)phenyl]urea

Sources & evidence

ORD record: ord-f520b6f459a241019a17157c4bbb9a0f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…